4-amino-1-[2-(3,3,3-trifluoropropyl)-1,3-thiazole-5-carbonyl]piperidine-4-carboxamide

C13H17F3N4O2S — CID 166369167

IUPAC4-amino-1-[2-(3,3,3-trifluoropropyl)-1,3-thiazole-5-carbonyl]piperidine-4-carboxamide
SMILESNC(=O)C1(N)CCN(C(=O)c2cnc(CCC(F)(F)F)s2)CC1
InChIInChI=1S/C13H17F3N4O2S/c14-13(15,16)2-1-9-19-7-8(23-9)10(21)20-5-3-12(18,4-6-20)11(17)22/h7H,1-6,18H2,(H2,17,22)
InChIKeyCMQQHNZWNPYREZ-UHFFFAOYSA-N
MW350.37 g/mol
LogP1.06
Rot. Bonds4

About 4-amino-1-[2-(3,3,3-trifluoropropyl)-1,3-thiazole-5-carbonyl]piperidine-4-carboxamide

4-amino-1-[2-(3,3,3-trifluoropropyl)-1,3-thiazole-5-carbonyl]piperidine-4-carboxamide (PubChem CID 166369167) has the molecular formula C13H17F3N4O2S and a molecular weight of 350.37 g/mol. Its IUPAC name is 4-amino-1-[2-(3,3,3-trifluoropropyl)-1,3-thiazole-5-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name4-amino-1-[2-(3,3,3-trifluoropropyl)-1,3-thiazole-5-carbonyl]piperidine-4-carboxamide
PubChem CID166369167
Molecular FormulaC13H17F3N4O2S
Molecular Weight350.37 g/mol
Exact Mass350.10
IUPAC Name4-amino-1-[2-(3,3,3-trifluoropropyl)-1,3-thiazole-5-carbonyl]piperidine-4-carboxamide
SMILESNC(=O)C1(N)CCN(C(=O)c2cnc(CCC(F)(F)F)s2)CC1
InChIInChI=1S/C13H17F3N4O2S/c14-13(15,16)2-1-9-19-7-8(23-9)10(21)20-5-3-12(18,4-6-20)11(17)22/h7H,1-6,18H2,(H2,17,22)
InChIKeyCMQQHNZWNPYREZ-UHFFFAOYSA-N
XLogP1.06
TPSA102.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[2-(3,3,3-trifluoropropyl)-1,3-thiazole-5-carbonyl]piperidine-4-carboxamide?
The IUPAC name of 4-amino-1-[2-(3,3,3-trifluoropropyl)-1,3-thiazole-5-carbonyl]piperidine-4-carboxamide (CID 166369167) is 4-amino-1-[2-(3,3,3-trifluoropropyl)-1,3-thiazole-5-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for 4-amino-1-[2-(3,3,3-trifluoropropyl)-1,3-thiazole-5-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for 4-amino-1-[2-(3,3,3-trifluoropropyl)-1,3-thiazole-5-carbonyl]piperidine-4-carboxamide is NC(=O)C1(N)CCN(C(=O)c2cnc(CCC(F)(F)F)s2)CC1.
What is the InChIKey of 4-amino-1-[2-(3,3,3-trifluoropropyl)-1,3-thiazole-5-carbonyl]piperidine-4-carboxamide?
The InChIKey is CMQQHNZWNPYREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N4O2S/c14-13(15,16)2-1-9-19-7-8(23-9)10(21)20-5-3-12(18,4-6-20)11(17)22/h7H,1-6,18H2,(H2,17,22).
What are the key properties of 4-amino-1-[2-(3,3,3-trifluoropropyl)-1,3-thiazole-5-carbonyl]piperidine-4-carboxamide?
4-amino-1-[2-(3,3,3-trifluoropropyl)-1,3-thiazole-5-carbonyl]piperidine-4-carboxamide has a molecular weight of 350.37 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[2-(3,3,3-trifluoropropyl)-1,3-thiazole-5-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 166369167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).